methyl 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate

Systemtic Name: methyl 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate Openeye Name: methyl 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-4,5-dihydrooxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate CAS Name: 3-[2-[[(1S,2R,3S,4R)-3-[4-[oxo-(pentylamino)methyl]-4,5-dihydrooxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate Traditional Name: 3-[2-[[(1S,2R,3S,4R)-3-[4-(amylcarbamoyl)-2-oxazolin-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propionic acid methyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)OC)O3

Isomeric SMILES

CCCCCNC(=O)C1COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)OC)O3

InChI

InChI=1S/C26H36N2O5/c1-3-4-7-14-27-25(30)20-16-32-26(28-20)24-19(21-11-12-22(24)33-21)15-18-9-6-5-8-17(18)10-13-23(29)31-2/h5-6,8-9,19-22,24H,3-4,7,10-16H2,1-2H3,(H,27,30)/t19-,20?,21-,22+,24-/m0/s1